Monomers

N-Allylstearamide

Identifiers

IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 64 63  0  0  0  0  0  0  0  0999 V2000
   -8.5469   -2.1949    2.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2719   -1.7082    0.9181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2379   -0.6157    0.8535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9234   -1.1034    1.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8480   -0.0635    1.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6076    0.3604   -0.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5086    1.4313   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3461    1.7823   -1.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3289    2.8100   -1.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9203    2.4695   -1.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334    1.2066   -2.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9782    0.8450   -1.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1452    0.6036   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5747    0.2440    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483   -0.9979   -0.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4752   -1.3298   -0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4480   -0.2361   -0.6500 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8042   -0.6867   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0026   -1.8008    0.3042 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9619    0.1353   -0.4569 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2841   -0.2834   -0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4016   -0.5427    1.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465   -1.7396    1.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9588   -3.1060    2.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3952   -1.3946    3.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6112   -2.4907    2.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0053   -2.5375    0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2187   -1.2660    0.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6226    0.2641    1.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1639   -0.3116   -0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6464   -2.0456    0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1145   -1.3465    2.4876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9091   -0.5644    1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0533    0.7872    2.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5335    0.8976   -0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3111   -0.4537   -0.6865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458    2.2379    0.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5752    0.9446    0.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    2.1091   -1.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0955    0.8378   -2.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3154    2.9794   -2.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5848    3.7879   -1.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2769    3.2975   -1.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522    2.5113   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0956    0.3413   -1.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4030    1.4446   -3.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3121    0.0113   -2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6020    1.7459   -2.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -0.3002   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7743    1.4269    0.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6544    0.1540    1.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2620    1.0895   -0.2413 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435   -0.9759   -1.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4287   -1.8477   -0.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7590   -2.2211   -0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5789   -1.5560    0.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2539    0.7127   -0.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4376   -0.0277   -1.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818    1.0555   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6452   -1.1592   -0.6205 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9862    0.5503   -0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917    0.2905    2.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9441   -2.5311    1.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8315   -1.9270    2.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  3
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 20 59  1  0
 21 60  1  0
 21 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers